D0K3JC
-OEChem-10101305022D
54 56 0 1 0 0 0 0 0999 V2000
3.8744 0.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5686 0.3718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9844 2.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3776 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5468 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8255 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0334 2.0191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2902 2.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4982 3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4492 3.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7550 4.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6571 4.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9629 5.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9140 5.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9441 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0677 -1.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8792 -1.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4616 -0.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5484 0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 0.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3552 1.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1623 2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7154 2.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9617 2.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -2.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -2.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1134 2.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4452 1.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9100 3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1654 4.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2468 5.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5022 5.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0429 6.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -5.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -6.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 11 2 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
4 11 1 0 0 0 0
4 14 1 0 0 0 0
4 38 1 0 0 0 0
12 5 1 1 0 0 0
5 41 1 0 0 0 0
5 42 1 0 0 0 0
6 7 1 0 0 0 0
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6 28 1 0 0 0 0
7 8 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 9 1 0 0 0 0
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8 32 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
12 35 1 0 0 0 0
13 15 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 16 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
16 20 2 0 0 0 0
17 21 1 0 0 0 0
17 43 1 0 0 0 0
18 22 2 0 0 0 0
18 44 1 0 0 0 0
19 23 2 0 0 0 0
19 45 1 0 0 0 0
20 25 1 0 0 0 0
20 46 1 0 0 0 0
21 24 2 0 0 0 0
21 47 1 0 0 0 0
22 24 1 0 0 0 0
22 48 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
24 49 1 0 0 0 0
25 26 2 0 0 0 0
25 50 1 0 0 0 0
26 51 1 0 0 0 0
27 52 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
M END
$$$$